2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-cyclopropyl-2-imidazolyl)thio]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-cyclopropylimidazol-2-yl)thio]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]ethanone Formula: C21H26N4O5S2 MolecularWeight: 478.58494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC=CN4C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC=CN4C5CC5)OC1

InChI

InChI=1S/C21H26N4O5S2/c26-20(15-31-21-22-6-7-25(21)16-2-3-16)23-8-10-24(11-9-23)32(27,28)17-4-5-18-19(14-17)30-13-1-12-29-18/h4-7,14,16H,1-3,8-13,15H2